Information card for entry 7100117

Structure parameters

• Formula: C37 H50 Cl4 I N3 Ni
• Calculated formula: C37 H50 Cl4 I N3 Ni
• SMILES: [I-].[Ni]12([n]3c(cc(cc3)C(C)(C)C)c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C.ClCCl.ClCCl.c1ccc(cc1)C
• Title of publication: Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions
• Authors of publication: David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.78 ± 0.02 Å
• b: 17.04 ± 0.02 Å
• c: 19.13 ± 0.05 Å
• α: 90°
• β: 104.82 ± 0.02°
• γ: 90°
• Cell volume: 4028 ± 14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No